6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17ClN4O2S — CID 7177781

IUPAC6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4Cl)CC3)cnc2s1
InChIInChI=1S/C18H17ClN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3
InChIKeyKARZGHQXFRIGFV-UHFFFAOYSA-N
MW388.88 g/mol
LogP2.68
Rot. Bonds2

About 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7177781) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7177781
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4Cl)CC3)cnc2s1
InChIInChI=1S/C18H17ClN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3
InChIKeyKARZGHQXFRIGFV-UHFFFAOYSA-N
XLogP2.68
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7177781) is 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4Cl)CC3)cnc2s1.
What is the InChIKey of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KARZGHQXFRIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 388.88 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7177781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).